N-[1-(aminomethyl)-4-ethylcyclohexyl]-4-methylpiperidine-1-sulfonamide

C15H31N3O2S — CID 28940740

IUPACN-[1-(aminomethyl)-4-ethylcyclohexyl]-4-methylpiperidine-1-sulfonamide
SMILESCCC1CCC(CN)(NS(=O)(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-3-14-4-8-15(12-16,9-5-14)17-21(19,20)18-10-6-13(2)7-11-18/h13-14,17H,3-12,16H2,1-2H3
InChIKeyQWNYVGKMHAKJAK-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.85
Rot. Bonds5

About N-[1-(aminomethyl)-4-ethylcyclohexyl]-4-methylpiperidine-1-sulfonamide

N-[1-(aminomethyl)-4-ethylcyclohexyl]-4-methylpiperidine-1-sulfonamide (PubChem CID 28940740) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-ethylcyclohexyl]-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-4-methylpiperidine-1-sulfonamide
PubChem CID28940740
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-4-methylpiperidine-1-sulfonamide
SMILESCCC1CCC(CN)(NS(=O)(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-3-14-4-8-15(12-16,9-5-14)17-21(19,20)18-10-6-13(2)7-11-18/h13-14,17H,3-12,16H2,1-2H3
InChIKeyQWNYVGKMHAKJAK-UHFFFAOYSA-N
XLogP1.85
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-sulfonamide
CID 91642856
3-methyl-N-(4-methylcyclohexyl)piperidine-1-sulfonamide
CID 42894521
4-(cyclohexylmethyl)-N-propylpiperazine-1-sulfonamide
CID 170198339
N-(4-methylcyclohexyl)piperazine-1-sulfonamide
CID 28775832
N-[1-(aminomethyl)cyclohexyl]-4-methylpiperidine-1-sulfonamide
CID 28940478
N-[1-(aminomethyl)cyclohexyl]piperidine-1-sulfonamide
CID 28940480
N-[1-(aminomethyl)cyclooctyl]-4-methylpiperidine-1-sulfonamide
CID 28940610
N-[1-(aminomethyl)cyclooctyl]piperidine-1-sulfonamide
CID 28940612
N-[1-(aminomethyl)cycloheptyl]-4-methylpiperidine-1-sulfonamide
CID 28940660
N-[1-(aminomethyl)cycloheptyl]piperidine-1-sulfonamide
CID 28940662
1-(Aminomethyl)-1-(dimethylsulfamoylamino)-4-methylcyclohexane
CID 28940686
N-[1-(aminomethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide
CID 28940696

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-4-methylpiperidine-1-sulfonamide (CID 28940740) is N-[1-(aminomethyl)-4-ethylcyclohexyl]-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-ethylcyclohexyl]-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-ethylcyclohexyl]-4-methylpiperidine-1-sulfonamide is CCC1CCC(CN)(NS(=O)(=O)N2CCC(C)CC2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-ethylcyclohexyl]-4-methylpiperidine-1-sulfonamide?
The InChIKey is QWNYVGKMHAKJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-3-14-4-8-15(12-16,9-5-14)17-21(19,20)18-10-6-13(2)7-11-18/h13-14,17H,3-12,16H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-4-ethylcyclohexyl]-4-methylpiperidine-1-sulfonamide?
N-[1-(aminomethyl)-4-ethylcyclohexyl]-4-methylpiperidine-1-sulfonamide has a molecular weight of 317.50 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-ethylcyclohexyl]-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 28940740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).